SCHEMBL28615728

SCHEMBL28615728

O=C(O)CCP(=O)(OCCO)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 1/20 0.44
AOX1 Q06278 1/20 0.42
USP2 O75604 1/20 0.41
CFTR P13569 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
GGH Q92820 1/20 0.37
CA2 P00918 1/20 0.37
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.35
KEAP1 Q14145 1/20 0.35
LMNA P02545 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25705259 0.92 NPSR1 (0.49) NPSR1GAAAOX1USP2CFTR
SCHEMBL28483737 0.91 MEN1 (0.41) NPSR1GAAAOX1USP2CFTR
SCHEMBL25705277 0.89 NPSR1 (0.50) NPSR1GAAAOX1USP2CFTR
SCHEMBL7618277 0.86 SMN1; SMN2 (0.46) NPSR1GAAAOX1USP2CFTR
SCHEMBL22490046 0.81 MEN1 (0.46) GAAAOX1USP2CFTRMEN1
SCHEMBL258493 0.79 THRB (0.50) NPSR1AOX1USP2CFTRCA2
SCHEMBL13498169 0.78 PKM (0.54) NPSR1GAAAOX1USP2CFTR
SCHEMBL28390105 0.78 NPSR1 (0.49) NPSR1GAAAOX1USP2CFTR
SCHEMBL28774210 0.78 NPSR1 (0.49) NPSR1GAAAOX1USP2CFTR
SCHEMBL7617400 0.78 SMN1; SMN2 (0.44) NPSR1GAAAOX1CFTRMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115262030-B Flame-retardant noctilucent fiber and preparation method thereof 清源创新实验室 2023-12-05 CN claimed
CN-110527054-B Flame-retardant rigid polyurethane foam material and preparation method and application thereof 福州大学 2021-12-21 CN claimed
CN-110527053-B Low-smoke flame-retardant rigid polyurethane foam material and preparation method thereof FUZHOU UNIVERSITY (CN) 2021-08-31 CN claimed
CN-115262030-B Flame-retardant noctilucent fiber and preparation method thereof 清源创新实验室 2023-12-05 CN disclosed
CN-110527054-B Flame-retardant rigid polyurethane foam material and preparation method and application thereof 福州大学 2021-12-21 CN disclosed
CN-110527053-B Low-smoke flame-retardant rigid polyurethane foam material and preparation method thereof FUZHOU UNIVERSITY (CN) 2021-08-31 CN disclosed